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Phosphoric Acid Tripropyl Ester-d21

CAT: 0572-TRC-P359397-100MGSize: 100 mgDry Ice: NoHazardous: No
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CAT#:0572-TRC-P359397-100MGSize:100 mg
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24/48H Stock Items & 2 to 6 Weeks non Stock Items.
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CAS Number
1219794-92-9
Synonyms
Tripropyl Phosphate-d21; 1-Propan-1,1,2,2,3,3,3-d7-ol, 1,1',1''-phosphate; Tri-n-propyl Phosphate D21
Hazard Statement
Harmful if swallowed
Purity
>95% (HPLC)
Smiles
[2H]C([2H])([2H])C([2H])([2H])C([2H])([2H])OP(=O)(OC([2H])([2H])C([2H])([2H])C([2H])([2H])[2H])OC([2H])([2H])C([2H])([2H])C([2H])([2H])[2H]
Molecular Formula
C9 D21 O4 P
Molecular Weight
245.36
InChI
InChI=1S/C9H21O4P/c1-4-7-11-14(10,12-8-5-2)13-9-6-3/h4-9H2,1-3H3/i1D3,2D3,3D3,4D2,5D2,6D2,7D2,8D2,9D2
Additionnal Information
IUPAC name: tris(1,1,2,2,3,3,3-heptadeuteriopropyl) phosphate
Shipping Conditions
Room Temperature
Storage Conditions
+4°C

Chemical Information

Tri-n-propyl-d21 phosphate
CAS Number1219794-92-9
PubChem CID131869251
IUPAC Nametris(1,1,2,2,3,3,3-heptadeuteriopropyl) phosphate
Molecular FormulaC9H21O4P
Molecular Weight245.36
XLogP1.9
Topological Polar Surface Area44.8
Hydrogen Bond Donor Count0
Hydrogen Bond Acceptor Count4
Rotatable Bond Count9
Heavy Atom Count14
Formal Charge0
Complexity144
SMILES
[2H]C([2H])([2H])C([2H])([2H])C([2H])([2H])OP(=O)(OC([2H])([2H])C([2H])([2H])C([2H])([2H])[2H])OC([2H])([2H])C([2H])([2H])C([2H])([2H])[2H]
InChI
InChI=1S/C9H21O4P/c1-4-7-11-14(10,12-8-5-2)13-9-6-3/h4-9H2,1-3H3/i1D3,2D3,3D3,4D2,5D2,6D2,7D2,8D2,9D2
InChIKey
RXPQRKFMDQNODS-JPWMFWTESA-N
Chemical Structure
2D Structure
2D structure of Tri-n-propyl-d21 phosphate
CAS: 1219794-92-9
CID: 131869251
Formula: C9H21O4P
MW: 245.36
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight245.36
XLogP31.9
Hydrogen Bond Donor Count0
Hydrogen Bond Acceptor Count4
Rotatable Bond Count9
Exact Mass245.24955781
Monoisotopic Mass245.24955781
Topological Polar Surface Area44.8 Ų
Heavy Atom Count14
Formal Charge0
Complexity144
Isotope Atom Count21
Defined Atom Stereocenter Count0
Undefined Atom Stereocenter Count0
Defined Bond Stereocenter Count0
Undefined Bond Stereocenter Count0
Covalently-Bonded Unit Count1
Compound Is CanonicalizedYes

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462527-01Phosphoric Acid Tripropyl Ester-d21
462526-01Phosphoric Acid Tripropyl Ester
462532-01Phosphoric Acid Tris (4-​methylphenyl) -d21 Ester
462516-01Phosphoric Acid Diethyl Ester
019645Phosphoric Acid Dibenzyl Ester
CS-T-83941Phosphoric Acid Tributyl Ester
DAA11539-01Phosphoric acid dioctyl ester
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